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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Gastrin/cholecystokinin type B receptor
Species	Homo sapiens (Human)
Gene	CCKBR
Synonym	CCK-B receptor CCK-B receptor {ECO:0000303\|PubMed:8415658} CCK-B/gastrin receptor CCK-BR gastrin/cholecystokinin type B receptor CCK2 receptor CCK2-R CHOLREC Cholecystokinin-2 receptor {ECO:0000303\|PubMed:11926817} cholecystokinin-2 receptor [ Show all ]
Disease	Diagnostic imaging Duodenal ulcers Gastroesophageal reflux disease Gastrointestinal disease Intestine cancer Medullary thyroid cancer Stomach disease Stomach ulcer Type 1 diabetes Ulcerative colitis Unspecified Anxiety disorder Caerulein stimulated gastric and pancreatic secretion Cancer [ Show all ]
Length	447
Amino acid sequence	MELLKLNRSVQGTGPGPGASLCRPGAPLLNSSSVGNLSCEPPRIRGAGTRELELAIRITLYAVIFLMSVGGNMLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWLLSGLLMVPYPVYTVVQPVGPRVLQCVHRWPSARVRQTWSVLLLLLLFFIPGVVMAVAYGLISRELYLGLRFDGDSDSDSQSRVRNQGGLPGAVHQNGRCRPETGAVGEDSDGCYVQLPRSRPALELTALTAPGPGSGSRPTQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDGPGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRALPDEDPPTPSIASLSRLSYTTISTLGPG
UniProt	P32239
Protein Data Bank	N/A
GPCR-HGmod model	P32239
3D structure model	This predicted structure model is from GPCR-EXP P32239.
BioLiP	N/A
Therapeutic Target Database	T05849
ChEMBL	CHEMBL298
IUPHAR	77
DrugBank	BE0001158

Ligand

Name	CHEMBL101854
Molecular formula	C23H34N2O4
IUPAC name	tert-butyl N-[(2S)-1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
Molecular weight	402.535
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM50286154 [(S)-1-(4-Benzoyl-piperidine-1-carbonyl)-3-methyl-butyl]-carbamic acid tert-butyl ester
Inchi Key	BVJVNUGVSGQKQC-IBGZPJMESA-N
Inchi ID	InChI=1S/C23H34N2O4/c1-16(2)15-19(24-22(28)29-23(3,4)5)21(27)25-13-11-18(12-14-25)20(26)17-9-7-6-8-10-17/h6-10,16,18-19H,11-15H2,1-5H3,(H,24,28)/t19-/m0/s1
PubChem CID	44334331
ChEMBL	CHEMBL101854
IUPHAR	N/A
BindingDB	50286154
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:24:3057	BindingDB,ChEMBL

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